6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine

C8H14N4O — CID 163432843

IUPAC6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine
SMILESCC1CNc2nc[nH]c2COCN1
InChIInChI=1S/C8H14N4O/c1-6-2-9-8-7(10-4-11-8)3-13-5-12-6/h4,6,9,12H,2-3,5H2,1H3,(H,10,11)
InChIKeyARZCZPPRDBXQNT-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.29
Rot. Bonds

About 6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine

6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine (PubChem CID 163432843) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine.

Molecular Properties

Compound Name6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine
PubChem CID163432843
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine
SMILESCC1CNc2nc[nH]c2COCN1
InChIInChI=1S/C8H14N4O/c1-6-2-9-8-7(10-4-11-8)3-13-5-12-6/h4,6,9,12H,2-3,5H2,1H3,(H,10,11)
InChIKeyARZCZPPRDBXQNT-UHFFFAOYSA-N
XLogP0.29
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine with MolForge

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Related Compounds

(6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136713366
(6R)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136713365
4-methyl-1,3-oxazolidine;(4R)-4-methyl-1,3-oxazolidine
CID 161279411
5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 135741900
2-methyl-5-pyridin-2-yl-1,3-oxazolidine
CID 82280272
5,6-dihydro-1H-furo[2,3-d]imidazole
CID 57040555
6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 173397349
(4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 40803405
[(5R)-5-methylpiperazin-2-ylidene]methanone
CID 176520564
4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate
CID 47000675
4,6-dihydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid
CID 174294577
5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
CID 147578197

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine?
The IUPAC name of 6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine (CID 163432843) is 6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine.
What is the SMILES notation for 6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine?
The canonical SMILES for 6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine is CC1CNc2nc[nH]c2COCN1.
What is the InChIKey of 6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine?
The InChIKey is ARZCZPPRDBXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6-2-9-8-7(10-4-11-8)3-13-5-12-6/h4,6,9,12H,2-3,5H2,1H3,(H,10,11).
What are the key properties of 6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine?
6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine has a molecular weight of 182.23 g/mol, XLogP of 0.29, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine is sourced from PubChem (CID 163432843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).